6MGP
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![BU of 6mgp by Molmil](/molmil-images/mine/6mgp) | Structure of human 4-1BB / 4-1BBL complex | Descriptor: | ACETATE ION, GLYCEROL, Tumor necrosis factor ligand superfamily member 9, ... | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | Deposit date: | 2018-09-14 | Release date: | 2018-11-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab Nat Commun, 9, 2018
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4MV2
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![BU of 4mv2 by Molmil](/molmil-images/mine/4mv2) | Crystal structure of plu4264 protein from Photorhabdus luminescens | Descriptor: | NICKEL (II) ION, SODIUM ION, plu4264 | Authors: | Michalska, K, Li, H, Jedrzejczak, R, Babnigg, G, Bingman, C.A, Yennamalli, R, Weerth, S, Thomas, M.G, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2013-09-23 | Release date: | 2013-10-02 | Last modified: | 2015-02-04 | Method: | X-RAY DIFFRACTION (1.349 Å) | Cite: | Structure of a cupin protein Plu4264 from Photorhabdus luminescens subsp. laumondii TTO1 at 1.35 angstrom resolution. Proteins, 83, 2015
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6MVQ
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![BU of 6mvq by Molmil](/molmil-images/mine/6mvq) | HCV NS5B 1b N316 bound to Compound 31 | Descriptor: | (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | Deposit date: | 2018-10-26 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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4EAX
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![BU of 4eax by Molmil](/molmil-images/mine/4eax) | Mouse NGF in complex with Lyso-PS | Descriptor: | Beta-nerve growth factor, O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine | Authors: | Jiang, T, Tong, Q. | Deposit date: | 2012-03-23 | Release date: | 2012-09-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional insights into lipid-bound nerve growth factors Faseb J., 26, 2012
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6MGE
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![BU of 6mge by Molmil](/molmil-images/mine/6mge) | Structure of human 4-1BBL | Descriptor: | GLYCEROL, PHOSPHATE ION, Tumor necrosis factor ligand superfamily member 9 | Authors: | Kimberlin, C.R, Chin, S.M, Roe-Zurz, Z, Xu, A, Yang, Y. | Deposit date: | 2018-09-13 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure of the 4-1BB/4-1BBL complex and distinct binding and functional properties of utomilumab and urelumab. Nat Commun, 9, 2018
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6KKU
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![BU of 6kku by Molmil](/molmil-images/mine/6kku) | human KCC1 structure determined in NaCl and GDN | Descriptor: | 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Liu, S, Chang, S, Ye, S, Bai, X, Guo, J. | Deposit date: | 2019-07-27 | Release date: | 2019-10-23 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Cryo-EM structures of the human cation-chloride cotransporter KCC1. Science, 366, 2019
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6MVP
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![BU of 6mvp by Molmil](/molmil-images/mine/6mvp) | HCV NS5B 1b N316 bound to Compound 18 | Descriptor: | (4-{[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl](methylsulfonyl)amino}phenyl)boronic acid, Genome polyprotein | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | Deposit date: | 2018-10-26 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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6MVO
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![BU of 6mvo by Molmil](/molmil-images/mine/6mvo) | HCV NS5B 1A Y316 bound to Compound 49 | Descriptor: | 6-[(7-chloro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-5-yl)(methylsulfonyl)amino]-5-cyclopropyl-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, SULFATE ION | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | Deposit date: | 2018-10-26 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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4ML2
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![BU of 4ml2 by Molmil](/molmil-images/mine/4ml2) | Crystal structure of wild-type YafQ | Descriptor: | SULFATE ION, mRNA interferase YafQ | Authors: | Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H. | Deposit date: | 2013-09-06 | Release date: | 2014-06-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ J.Biol.Chem., 289, 2014
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4ML0
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![BU of 4ml0 by Molmil](/molmil-images/mine/4ml0) | Crystal structure of E.coli DinJ-YafQ complex | Descriptor: | Predicted antitoxin of YafQ-DinJ toxin-antitoxin system, Predicted toxin of the YafQ-DinJ toxin-antitoxin system, SULFATE ION | Authors: | Liang, Y.J, Gao, Z.Q, Liu, Q.S, Dong, Y.H. | Deposit date: | 2013-09-06 | Release date: | 2014-06-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Functional Characterization of Escherichia coli Toxin-Antitoxin Complex DinJ-YafQ J.Biol.Chem., 289, 2014
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6MVK
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![BU of 6mvk by Molmil](/molmil-images/mine/6mvk) | HCV NS5B 1b N316 bound to Compound 18 | Descriptor: | (4-{(4S)-3-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-2-oxo-1,3-oxazolidin-4-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | Deposit date: | 2018-10-26 | Release date: | 2019-09-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor. J.Med.Chem., 62, 2019
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4Q31
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![BU of 4q31 by Molmil](/molmil-images/mine/4q31) | The crystal structure of cystathione gamma lyase (CalE6) from Micromonospora echinospora | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, FORMIC ACID, ... | Authors: | Tan, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Bingman, C.A, Yennamalli, R.M, Singh, S, Kharel, M.K, Thorson, J.S, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-04-10 | Release date: | 2014-05-07 | Last modified: | 2017-03-08 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | Structural dynamics of a methionine gamma-lyase for calicheamicin biosynthesis: Rotation of the conserved tyrosine stacking with pyridoxal phosphate. Struct Dyn, 3, 2016
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7EOD
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![BU of 7eod by Molmil](/molmil-images/mine/7eod) | MITF HLHLZ Delta AKE | Descriptor: | GLYCEROL, Isoform M1 of Microphthalmia-associated transcription factor | Authors: | Li, P, Liu, Z, Fang, P, Wang, J. | Deposit date: | 2021-04-22 | Release date: | 2022-04-27 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A unique hyperdynamic dimer interface permits small molecule perturbation of the melanoma oncoprotein MITF for melanoma therapy. Cell Res., 33, 2023
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5WFY
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![BU of 5wfy by Molmil](/molmil-images/mine/5wfy) | |
7Y3O
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![BU of 7y3o by Molmil](/molmil-images/mine/7y3o) | Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody BIOLS56 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, Light chain of BIOLS56, ... | Authors: | Rao, X, Gao, F, Wu, Y, Gao, F. | Deposit date: | 2022-06-11 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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5X74
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![BU of 5x74 by Molmil](/molmil-images/mine/5x74) | The crystal Structure PDE delta in complex with compound (R, R)-1g | Descriptor: | (2R)-2-(2-fluorophenyl)-3-[2-[4-[(2R)-2-(2-fluorophenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]piperidin-1-yl]ethyl]-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | Deposit date: | 2017-02-23 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors J. Med. Chem., 60, 2017
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5X73
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![BU of 5x73 by Molmil](/molmil-images/mine/5x73) | The crystal Structure PDE delta in complex with R-p9 | Descriptor: | (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | Deposit date: | 2017-02-23 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors J. Med. Chem., 60, 2017
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7DF1
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![BU of 7df1 by Molmil](/molmil-images/mine/7df1) | Crystal structure of human CD98 heavy chain extracellular domain in complex with S1-F4 scFv | Descriptor: | 4F2 cell-surface antigen heavy chain, IGL c2062_light_IGKV4-1_IGKJ5, S1-F4 VH | Authors: | Liu, X, Ding, J, Sui, J, Tian, X. | Deposit date: | 2020-11-06 | Release date: | 2022-12-07 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.806 Å) | Cite: | An anti-CD98 antibody displaying pH-dependent Fc-mediated tumour-specific activity against multiple cancers in CD98-humanized mice. Nat Biomed Eng, 2022
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7D99
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![BU of 7d99 by Molmil](/molmil-images/mine/7d99) | human potassium-chloride co-transporter KCC4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, POTASSIUM ION, ... | Authors: | Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J. | Deposit date: | 2020-10-12 | Release date: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structures and an activation mechanism of human potassium-chloride cotransporters. Sci Adv, 6, 2020
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5X72
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![BU of 5x72 by Molmil](/molmil-images/mine/5x72) | The crystal Structure PDE delta in complex with (rac)-p9 | Descriptor: | (2R)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, (2S)-2-(2-fluorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | Authors: | Jiang, Y, Zhuang, C, Chen, L, Wang, R, Wang, F, Sheng, C. | Deposit date: | 2017-02-23 | Release date: | 2017-10-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Biology-Inspired Discovery of Novel KRAS-PDE delta Inhibitors J. Med. Chem., 60, 2017
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3TGU
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![BU of 3tgu by Molmil](/molmil-images/mine/3tgu) | Cytochrome bc1 complex from chicken with pfvs-designed moa inhibitor bound | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, CARDIOLIPIN, Coenzyme Q10, ... | Authors: | Huang, L.-S, Yang, G.-F, Berry, E.A. | Deposit date: | 2011-08-17 | Release date: | 2012-07-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Computational discovery of picomolar Q(o) site inhibitors of cytochrome bc1 complex. J.Am.Chem.Soc., 134, 2012
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7D90
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![BU of 7d90 by Molmil](/molmil-images/mine/7d90) | human potassium-chloride co-transporter KCC3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, potassium-chloride cotransporter 3 | Authors: | Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J. | Deposit date: | 2020-10-12 | Release date: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structures and an activation mechanism of human potassium-chloride cotransporters. Sci Adv, 6, 2020
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7D8Z
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![BU of 7d8z by Molmil](/molmil-images/mine/7d8z) | human potassium-chloride co-transporter KCC2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, potassium-chloride cotransporter 2 | Authors: | Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J. | Deposit date: | 2020-10-11 | Release date: | 2020-12-30 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures and an activation mechanism of human potassium-chloride cotransporters. Sci Adv, 6, 2020
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7Y3N
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![BU of 7y3n by Molmil](/molmil-images/mine/7y3n) | Crystal structure of SARS-CoV receptor binding domain in complex with human antibody BIOLS56 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, ... | Authors: | Rao, X, Chai, Y, Wu, Y, Gao, F. | Deposit date: | 2022-06-11 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.97 Å) | Cite: | Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2. Proc.Natl.Acad.Sci.USA, 120, 2023
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7KHM
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![BU of 7khm by Molmil](/molmil-images/mine/7khm) | Crystal structure of hDHHS20 bound to palmitoyl CoA | Descriptor: | Isoform 4 of Palmitoyltransferase ZDHHC20, PHOSPHATE ION, Palmitoyl-CoA, ... | Authors: | Lee, C.-J, Banerjee, A. | Deposit date: | 2020-10-21 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Bivalent recognition of fatty acyl-CoA by a human integral membrane palmitoyltransferase. Proc.Natl.Acad.Sci.USA, 119, 2022
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